COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK682417
Chemical Name: ethyl5-(acetyloxy)-6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-1-benzofuran-3-carboxylate
Smiles: N#CCN1CCN(CC1)Cc1oc2c(c1C(=O)OCC)cc(c(c2)Br)OC(=O)C

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Molecular Weight: 464.32
Empirical Formula: C20H22BrN3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.679
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 96
Number of rings: 3

     

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